SCHEMBL4568128

SCHEMBL4568128

COC(=O)c1ccc(Cc2c(C(C)(C)C)n(C)c3cc(Cl)ccc23)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
TSHR P16473 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4568155 0.89 POLB (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4568127 0.82 HTT (0.46) HTTTSHRRAB9ALMNAALDH1A1
SCHEMBL4568126 0.80 ENPP2 (0.46) MAPK8MAPK9MAPT
SCHEMBL4568113 0.77 ALDH1A1 (0.51) HTTTSHRRAB9ALMNANPC1
SCHEMBL4568150 0.72 ENPP2 (0.57)
SCHEMBL4568154 0.71 PPARG (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4568112 0.69 TUBB4A (0.57) HTTLMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL12018996 0.69 HTT (1.00) HTTTSHRRAB9ALMNANPC1
SCHEMBL4568121 0.67 HTT (0.51) HTTTSHRRAB9ALMNANPC1
SCHEMBL2651977 0.67 HTT (0.71) HTTTSHRRAB9ALMNANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R HTT 2322/4885TSHR 279/4885RAB9A 1646/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.